(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N,N-diethylpyrrolidine-2-carboxamide

C15H27N3O2 — CID 75529690

IUPAC(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)C1CC1
InChIInChI=1S/C15H27N3O2/c1-4-17(5-2)15(20)12-7-6-10-18(12)13(11-8-9-11)14(19)16-3/h11-13H,4-10H2,1-3H3,(H,16,19)/t12-,13+/m0/s1
InChIKeyXEMHVCJCGYOOJS-QWHCGFSZSA-N
MW281.40 g/mol
LogP0.84
Rot. Bonds6

About (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N,N-diethylpyrrolidine-2-carboxamide

(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 75529690) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID75529690
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)C1CC1
InChIInChI=1S/C15H27N3O2/c1-4-17(5-2)15(20)12-7-6-10-18(12)13(11-8-9-11)14(19)16-3/h11-13H,4-10H2,1-3H3,(H,16,19)/t12-,13+/m0/s1
InChIKeyXEMHVCJCGYOOJS-QWHCGFSZSA-N
XLogP0.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N,N-diethylpyrrolidine-2-carboxamide (CID 75529690) is (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1CCCN1[C@@H](C(=O)NC)C1CC1.
What is the InChIKey of (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is XEMHVCJCGYOOJS-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-17(5-2)15(20)12-7-6-10-18(12)13(11-8-9-11)14(19)16-3/h11-13H,4-10H2,1-3H3,(H,16,19)/t12-,13+/m0/s1.
What are the key properties of (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N,N-diethylpyrrolidine-2-carboxamide?
(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 75529690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).